About 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole
5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole (PubChem CID 88917497) has the molecular formula C66H38N4OS
and a molecular weight of 935.12 g/mol. Its IUPAC name is 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole.
Molecular Properties
| Compound Name | 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole |
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| PubChem CID | 88917497 |
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| Molecular Formula | C66H38N4OS |
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| Molecular Weight | 935.12 g/mol |
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| Exact Mass | 934.28 |
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| IUPAC Name | 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole |
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| SMILES | c1cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)sc2ccccc23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c23)c1 |
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| InChI | InChI=1S/C66H38N4OS/c1-9-24-56-43(16-1)49-31-32-58-65(66(49)70(56)41-29-33-62-53(35-41)46-19-5-11-26-61(46)71-62)50-21-4-10-25-57(50)67(58)39-14-13-15-40(34-39)68-54-22-7-2-17-44(54)51-38-60-52(37-59(51)68)45-18-3-8-23-55(45)69(60)42-28-30-48-47-20-6-12-27-63(47)72-64(48)36-42/h1-38H |
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| InChIKey | OILWRTSXRGPAOX-UHFFFAOYSA-N |
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| XLogP | 18.34 |
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| TPSA | 32.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 935.12 |
| LogP ≤ 5 | 18.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole?
The IUPAC name of 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole (CID 88917497) is 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole?
The canonical SMILES for 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole is c1cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)sc2ccccc23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c23)c1.
What is the InChIKey of 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole?
The InChIKey is OILWRTSXRGPAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4OS/c1-9-24-56-43(16-1)49-31-32-58-65(66(49)70(56)41-29-33-62-53(35-41)46-19-5-11-26-61(46)71-62)50-21-4-10-25-57(50)67(58)39-14-13-15-40(34-39)68-54-22-7-2-17-44(54)51-38-60-52(37-59(51)68)45-18-3-8-23-55(45)69(60)42-28-30-48-47-20-6-12-27-63(47)72-64(48)36-42/h1-38H.
What are the key properties of 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole?
5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole has a molecular weight of 935.12 g/mol, XLogP of 18.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)phenyl]-11-dibenzothiophen-3-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 88917497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).